General Information of the Compound
| Compound ID |
CP0368507
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| Compound Name |
1-[4-[3-(hydroxymethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-(3-methylphenyl)urea
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| Structure |
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| Formula |
C21H19N5O2
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| Molecular Weight |
373.416
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(CO)c23)c1
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| InChI |
InChI=1S/C21H19N5O2/c1-13-3-2-4-16(11-13)24-21(28)23-15-7-5-14(6-8-15)17-9-10-22-20-19(17)18(12-27)25-26-20/h2-11,27H,12H2,1H3,(H,22,25,26)(H2,23,24,28)
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| InChIKey |
PIBOHFLFTZMJME-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound